CID 210684

21491-20-3

Structural Information

Molecular Formula
C27H29NO2
SMILES
C1CCNC(C1)C2(OCC(CO2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H29NO2/c1-4-12-22(13-5-1)26(23-14-6-2-7-15-23)20-29-27(30-21-26,24-16-8-3-9-17-24)25-18-10-11-19-28-25/h1-9,12-17,25,28H,10-11,18-21H2
InChIKey
MLGCFPJCQZKRCK-UHFFFAOYSA-N
Compound name
2-(2,5,5-triphenyl-1,3-dioxan-2-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.21982 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.22710 201.3
[M+Na]+ 422.20904 202.9
[M-H]- 398.21254 212.6
[M+NH4]+ 417.25364 208.7
[M+K]+ 438.18298 198.7
[M+H-H2O]+ 382.21708 187.3
[M+HCOO]- 444.21802 211.8
[M+CH3COO]- 458.23367 207.5
[M+Na-2H]- 420.19449 204.1
[M]+ 399.21927 191.5
[M]- 399.22037 191.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.